4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol

C11H18N2OS — CID 83190389

IUPAC4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol
SMILESCC(C)n1ccc(CC2CSCC2O)n1
InChIInChI=1S/C11H18N2OS/c1-8(2)13-4-3-10(12-13)5-9-6-15-7-11(9)14/h3-4,8-9,11,14H,5-7H2,1-2H3
InChIKeyXPRIAVVUEKOFSM-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.73
Rot. Bonds3

About 4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol

4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol (PubChem CID 83190389) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol.

Molecular Properties

Compound Name4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol
PubChem CID83190389
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol
SMILESCC(C)n1ccc(CC2CSCC2O)n1
InChIInChI=1S/C11H18N2OS/c1-8(2)13-4-3-10(12-13)5-9-6-15-7-11(9)14/h3-4,8-9,11,14H,5-7H2,1-2H3
InChIKeyXPRIAVVUEKOFSM-UHFFFAOYSA-N
XLogP1.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 64772657
4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol
CID 83190390
3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 106471105
2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol
CID 105103437
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81028346
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027054
4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 81020642
[4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011938
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026099
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032455
4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64771322

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol?
The IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol (CID 83190389) is 4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol.
What is the SMILES notation for 4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol?
The canonical SMILES for 4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol is CC(C)n1ccc(CC2CSCC2O)n1.
What is the InChIKey of 4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol?
The InChIKey is XPRIAVVUEKOFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(2)13-4-3-10(12-13)5-9-6-15-7-11(9)14/h3-4,8-9,11,14H,5-7H2,1-2H3.
What are the key properties of 4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol?
4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol has a molecular weight of 226.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol is sourced from PubChem (CID 83190389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).